2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide

C16H16N4OS2 — CID 9031058

IUPAC2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide
SMILESCC/C(=N/NC(=O)CNc1nc2ccccc2s1)c1cccs1
InChIInChI=1S/C16H16N4OS2/c1-2-11(13-8-5-9-22-13)19-20-15(21)10-17-16-18-12-6-3-4-7-14(12)23-16/h3-9H,2,10H2,1H3,(H,17,18)(H,20,21)/b19-11-
InChIKeyPBQRNMWCJBOQHY-ODLFYWEKSA-N
MW344.47 g/mol
LogP3.70
Rot. Bonds6

About 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide

2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide (PubChem CID 9031058) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide
PubChem CID9031058
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide
SMILESCC/C(=N/NC(=O)CNc1nc2ccccc2s1)c1cccs1
InChIInChI=1S/C16H16N4OS2/c1-2-11(13-8-5-9-22-13)19-20-15(21)10-17-16-18-12-6-3-4-7-14(12)23-16/h3-9H,2,10H2,1H3,(H,17,18)(H,20,21)/b19-11-
InChIKeyPBQRNMWCJBOQHY-ODLFYWEKSA-N
XLogP3.70
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzothiazol-2-ylamino)-N-(pentan-3-ylideneamino)acetamide
CID 9030710
2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9031304
2-(1,3-benzothiazol-2-ylamino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135771298
2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide
CID 113219085
2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide
CID 9031104
ethyl 4-[[2-(1,3-benzothiazol-2-ylamino)acetyl]hydrazinylidene]piperidine-1-carboxylate
CID 9030687
methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972617
2-[[4-amino-5-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 17076762
2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide
CID 25237592
tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972522
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide
CID 6162815

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide (CID 9031058) is 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide is CC/C(=N/NC(=O)CNc1nc2ccccc2s1)c1cccs1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide?
The InChIKey is PBQRNMWCJBOQHY-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-2-11(13-8-5-9-22-13)19-20-15(21)10-17-16-18-12-6-3-4-7-14(12)23-16/h3-9H,2,10H2,1H3,(H,17,18)(H,20,21)/b19-11-.
What are the key properties of 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide?
2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide has a molecular weight of 344.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide is sourced from PubChem (CID 9031058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).